EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H36N4O4 |
| Net Charge | 0 |
| Average Mass | 492.620 |
| Monoisotopic Mass | 492.27366 |
| SMILES | C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@H]1CN(C)C(=O)Cc1ccccc1 |
| InChI | InChI=1S/C28H36N4O4/c1-20-17-32(21(2)19-33)28(35)24-14-23(12-9-13-30(3)4)16-29-27(24)36-25(20)18-31(5)26(34)15-22-10-7-6-8-11-22/h6-8,10-11,14,16,20-21,25,33H,13,15,17-19H2,1-5H3/t20-,21-,25-/m0/s1 |
| InChIKey | RCWBPICPBWJXDU-WATLYSKOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-phenylacetamide (CHEBI:106283) is a acetamides (CHEBI:22160) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17644 | LINCS |